Akonitin
PubChem Notes:
Aconitine A C19 norditerpenoid alkaloid (DITERPENES) from the root of ACONITUM plants. It activates voltage-gated SODIUM CHANNELS. It has been used to induce ARRHYTHMIA in experimental animals and it has antiinflammatory and antineuralgic properties.
MediLexicon aconitine - Medical Dictionary Definition for Term 'aconitine'
[1. The exceedingly poisonous active principle (diterpene alkaloid) of Aconitum sp. and Delphinium sp., formerly used as a cardiac sedative and applied externally for neuralgia.
Molecular Formula:
C34H47NO11
InChI: InChI=1/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19u,20?,21?,22?,23u,24?,25u,26-,27+,28-,29?,31u,32-,33+,34-/m1/s1
InChIKey: InChIKey=XFSBVAOIAHNAPC-WLAJSKABBW
SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC
Names:
Aconitine (Crystalline)
Aconitin
aconitine
Aconitinum
Aconitin cristallisat [German]
Aconitysat
Akonitin
EINECS 206-121-7
NSC 56464
302-27-2
Registries:
PubChem CID 11969475
PubChem ID 152527
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